2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone

C23H24ClN5O2 — CID 167352493

IUPAC2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
SMILESCN1CCOC2(C1)CN(C(=O)Cn1cnc(-c3ccc(Cl)cc3)c1-c1ccncc1)C2
InChIInChI=1S/C23H24ClN5O2/c1-27-10-11-31-23(13-27)14-29(15-23)20(30)12-28-16-26-21(17-2-4-19(24)5-3-17)22(28)18-6-8-25-9-7-18/h2-9,16H,10-15H2,1H3
InChIKeyHFSOSEFVMAASST-UHFFFAOYSA-N
MW437.93 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone

2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 167352493) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
PubChem CID167352493
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone
SMILESCN1CCOC2(C1)CN(C(=O)Cn1cnc(-c3ccc(Cl)cc3)c1-c1ccncc1)C2
InChIInChI=1S/C23H24ClN5O2/c1-27-10-11-31-23(13-27)14-29(15-23)20(30)12-28-16-26-21(17-2-4-19(24)5-3-17)22(28)18-6-8-25-9-7-18/h2-9,16H,10-15H2,1H3
InChIKeyHFSOSEFVMAASST-UHFFFAOYSA-N
XLogP2.81
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)-1-piperazin-1-ylethanone
CID 167352501
1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 162635004
3-(4-chlorophenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 129219680
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
6-(4-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 30935730
formic acid;(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone
CID 154919240
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 78835314
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 138382516
3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone (CID 167352493) is 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone is CN1CCOC2(C1)CN(C(=O)Cn1cnc(-c3ccc(Cl)cc3)c1-c1ccncc1)C2.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
The InChIKey is HFSOSEFVMAASST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-27-10-11-31-23(13-27)14-29(15-23)20(30)12-28-16-26-21(17-2-4-19(24)5-3-17)22(28)18-6-8-25-9-7-18/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone?
2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 437.93 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 167352493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).